Tead1/3/4-IN-1
1-[1-(2-fluoroprop-2-enoyl)azetidin-3-yl]-3-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-2-one
Molecular Identity
Tead1/3/4-IN-1
1-[1-(2-fluoroprop-2-enoyl)azetidin-3-yl]-3-[4-(trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-2-one
PubChem CID: 168157187
2D Structure
Properties
C18H13F4N5O2
Molecular Formula
407.30
Molecular Weight
g/mol
407.1005
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
69.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
688
Complexity
SMILES
Canonical SMILES
SMILES: C=C(C(=O)N1CC(C1)N2C3=NC=CN=C3N(C2=O)C4=CC=C(C=C4)C(F)(F)F)FIsomeric SMILES
SMILES: C=C(C(=O)N1CC(C1)N2C3=NC=CN=C3N(C2=O)C4=CC=C(C=C4)C(F)(F)F)FSynonyms(9)
2762619-63-4TEAD1/3/4-IN-1orb3027377SCHEMBL25369229SCHEMBL30377404EX-A12238BPI-460372T2078121-(1-(2-Fluoroacryloyl)azetidin-3-yl)-3-(4-(trifluoromethyl)phenyl)-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one
Data from PubChem (NCBI)
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